9FOE
Crystal structure of the PWWP1 domain of NSD2 bound by compound 7.
This is a non-PDB format compatible entry.
Summary for 9FOE
| Entry DOI | 10.2210/pdb9foe/pdb |
| Related | 9FOC |
| Descriptor | Histone-lysine N-methyltransferase NSD2, 1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea (3 entities in total) |
| Functional Keywords | drug discovery, nsd2, del, cancer research, transferase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 19455.18 |
| Authors | Collie, G.W. (deposition date: 2024-06-11, release date: 2025-09-03, Last modification date: 2025-10-01) |
| Primary citation | Collie, G.W.,Ackroyd, B.,Corbishley, C.,O'Donovan, D.H.,Edwards, A.,Gohlke, A.,Guo, X.,Howells, B.,Li, Y.,Madin, A.,Milbradt, A.G.,Rivers, E.L.,Talapatra, S.K.,Underwood, E.,Webb, A. Structural and Molecular Insight into the PWWP1 Domain of NSD2 from the Discovery of Novel Binders Via DNA-Encoded Library Screening. Acs Med.Chem.Lett., 16:1703-1708, 2025 Cited by PubMed Abstract: NSD2 is a key epigenetic regulator and has received considerable attention as a drug target due to its well-documented role in tumorigenesis. We report here a DNA-encoded library screen targeting the PWWP1 domain of NSD2 from which we discovered novel, potent, and selective binders. Furthermore, these compounds were used to develop a novel crystal system, increasing our understanding of the folding of this domain. Together, these results provide a solid molecular and structural basis for the further study of the PWWP1 domain of NSD2 as a cancer drug target. PubMed: 40959233DOI: 10.1021/acsmedchemlett.5c00396 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.963 Å) |
Structure validation
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